N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide

C5H9N5OS — CID 141007038

IUPACN-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](CS)c1nn[nH]n1
InChIInChI=1S/C5H9N5OS/c1-3(11)6-4(2-12)5-7-9-10-8-5/h4,12H,2H2,1H3,(H,6,11)(H,7,8,9,10)/t4-/m1/s1
InChIKeyBTUUFVWYQTZDSR-SCSAIBSYSA-N
MW187.23 g/mol
LogP-0.69
Rot. Bonds3

About N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide

N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide (PubChem CID 141007038) has the molecular formula C5H9N5OS and a molecular weight of 187.23 g/mol. Its IUPAC name is N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide
PubChem CID141007038
Molecular FormulaC5H9N5OS
Molecular Weight187.23 g/mol
Exact Mass187.05
IUPAC NameN-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](CS)c1nn[nH]n1
InChIInChI=1S/C5H9N5OS/c1-3(11)6-4(2-12)5-7-9-10-8-5/h4,12H,2H2,1H3,(H,6,11)(H,7,8,9,10)/t4-/m1/s1
InChIKeyBTUUFVWYQTZDSR-SCSAIBSYSA-N
XLogP-0.69
TPSA83.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide (CID 141007038) is N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide is CC(=O)N[C@H](CS)c1nn[nH]n1.
What is the InChIKey of N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide?
The InChIKey is BTUUFVWYQTZDSR-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9N5OS/c1-3(11)6-4(2-12)5-7-9-10-8-5/h4,12H,2H2,1H3,(H,6,11)(H,7,8,9,10)/t4-/m1/s1.
What are the key properties of N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide?
N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide has a molecular weight of 187.23 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 141007038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).